disodium;imidazolidin-1-ylurea;sulfite

C4H10N4Na2O4S — CID 174425382

IUPACdisodium;imidazolidin-1-ylurea;sulfite
SMILESNC(=O)NN1CCNC1.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C4H10N4O.2Na.H2O3S/c5-4(9)7-8-2-1-6-3-8;;;1-4(2)3/h6H,1-3H2,(H3,5,7,9);;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyMBUCZGWPDIVXKH-UHFFFAOYSA-L
MW256.19 g/mol
LogP-8.56
Rot. Bonds1

About disodium;imidazolidin-1-ylurea;sulfite

disodium;imidazolidin-1-ylurea;sulfite (PubChem CID 174425382) has the molecular formula C4H10N4Na2O4S and a molecular weight of 256.19 g/mol. Its IUPAC name is disodium;imidazolidin-1-ylurea;sulfite.

Molecular Properties

Compound Namedisodium;imidazolidin-1-ylurea;sulfite
PubChem CID174425382
Molecular FormulaC4H10N4Na2O4S
Molecular Weight256.19 g/mol
Exact Mass256.02
IUPAC Namedisodium;imidazolidin-1-ylurea;sulfite
SMILESNC(=O)NN1CCNC1.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C4H10N4O.2Na.H2O3S/c5-4(9)7-8-2-1-6-3-8;;;1-4(2)3/h6H,1-3H2,(H3,5,7,9);;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyMBUCZGWPDIVXKH-UHFFFAOYSA-L
XLogP-8.56
TPSA133.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 5-8.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

imidazolidin-1-ylurea;molecular nitrogen
CID 138543560
N-imidazolidin-1-ylprop-2-enamide
CID 68795651
piperazin-1-ylurea;pyridine
CID 174924246
imidazolidine-1-sulfinate
CID 57248704
imidazolidin-1-ylurea;1-iodoprop-1-enyl N-butylcarbamate
CID 170172763
pyrrolidin-1-ylurea;hydrate
CID 141393036
1-(sulfinoamino)piperazine
CID 57289052
1-methyl-3-piperazin-1-ylurea
CID 67352937
sodium;carbamothioic S-acid;hydride;pyrrolidin-1-ylcarbamothioic S-acid
CID 173274602
ethyl N-piperazin-1-ylcarbamate
CID 13200156
sodium;carbamothioic S-acid;hydride;piperidin-1-ylcarbamothioic S-acid
CID 173214577
2,2-di(piperazin-1-yl)acetamide
CID 57104434

Frequently Asked Questions

What is the IUPAC name of disodium;imidazolidin-1-ylurea;sulfite?
The IUPAC name of disodium;imidazolidin-1-ylurea;sulfite (CID 174425382) is disodium;imidazolidin-1-ylurea;sulfite.
What is the SMILES notation for disodium;imidazolidin-1-ylurea;sulfite?
The canonical SMILES for disodium;imidazolidin-1-ylurea;sulfite is NC(=O)NN1CCNC1.O=S([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;imidazolidin-1-ylurea;sulfite?
The InChIKey is MBUCZGWPDIVXKH-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10N4O.2Na.H2O3S/c5-4(9)7-8-2-1-6-3-8;;;1-4(2)3/h6H,1-3H2,(H3,5,7,9);;;(H2,1,2,3)/q;2*+1;/p-2.
What are the key properties of disodium;imidazolidin-1-ylurea;sulfite?
disodium;imidazolidin-1-ylurea;sulfite has a molecular weight of 256.19 g/mol, XLogP of -8.56, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;imidazolidin-1-ylurea;sulfite is sourced from PubChem (CID 174425382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).